4-[2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]thiomorpholine iodide

Systemtic Name: 4-[2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]thiomorpholine iodide Openeye Name: 4-[2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-vinyl]thiomorpholine iodide CAS Name: 4-[2-(1-methyl-2-quinolin-1-iumyl)-1-(methylthio)ethenyl]thiomorpholine iodide IUPAC Name: 4-[2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]thiomorpholine iodide Traditional Name: 4-[2-(1-methylquinolin-1-ium-2-yl)-1-(methylthio)vinyl]thiomorpholine iodide Formula: C17H21IN2S2 MolecularWeight: 444.39651

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=C(N3CCSCC3)SC.[I-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)C=C(N3CCSCC3)SC.[I-]

InChI

InChI=1S/C17H21N2S2.HI/c1-18-15(8-7-14-5-3-4-6-16(14)18)13-17(20-2)19-9-11-21-12-10-19;/h3-8,13H,9-12H2,1-2H3;1H/q+1;/p-1